Summary

IMPPAT Phytochemical identifier: IMPHY017384

Phytochemical name: 1-Dodecen-1-OL, acetate

Synonymous chemical names:
dodecenyl acetate

External chemical identifiers:
CID:5363334, SureChEMBL:SCHEMBL1630152

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Chemical structure information

SMILES:
CCCCCCCCCC/C=C/OC(=O)C

InChI:
InChI=1S/C14H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h12-13H,3-11H2,1-2H3/b13-12+

InChIKey:
MAAMIILYYYQTQW-OUKQBFOZSA-N

DeepSMILES:
CCCCCCCCCC/C=C/OC=O)C

Functional groups:
C/C=C/OC(C)=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Carboxylic acids and derivatives

ClassyFire Subclass: Carboxylic acid derivatives

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP-Likeness score: 1.62

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Chemical structure download